⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6503741 | 0.80 | KDR (0.30) | — | |
| SCHEMBL6507960 | 0.78 | IDO1 (0.34) | — | |
| SCHEMBL5146882 | 0.78 | PIK3CD (0.31) | — | |
| SCHEMBL12109792 | 0.69 | CYP3A4 (0.34) | — | |
| SCHEMBL14683279 | 0.66 | — | — | |
| SCHEMBL22437205 | 0.65 | IGF1R (0.37) | — | |
| SCHEMBL29447891 | 0.65 | TSHR (0.42) | — | |
| SCHEMBL21275867 | 0.65 | CA12 (0.38) | — | |
| SCHEMBL24439598 | 0.64 | BACE1 (0.33) | — | |
| SCHEMBL2883450 | 0.63 | RARB (0.44) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005108374-A1 | INSECTICIDAL DIAZOLE AND TRIAZOLE DERIVATIVES | FMC CORPORATION (US) | 2005-11-17 | — | — | WO | disclosed |